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Design of New Materials for Methane Storage
Abstract
One of the strategic goals of the modern automobile manufacturing industry is to replace gasoline and diesel with alternative fuels such as natural gas. In this report, we elucidate the desired characteristics of an optimal adsorbent for gas storage. The U.S. Department of Energy has outlined several requirements that adsorbents must fulfill for natural gas to become economically viable, with a key criterion being the amount adsorbed at 35 bar. We explore the adsorption characteristics of novel metal-organic materials (IRMOFs and molecular squares) and contrast them with the characteristics of two zeolites, MCM-41, and different carbon nanotubes. Using molecular simulations, we uncover the complex interplay of the factors influencing methane adsorption, especially the surface area, the capacity or free volume, the strength of the energetic interaction, and the pore size distribution. We also explain the extraordinary adsorption properties of IRMOF materials and propose new, not yet synthesized IRMOF structures with adsorption characteristics that are predicted to exceed the best experimental results to date by up to 36%.
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Cites
Helical microtubules of graphitic carbon
Iijima, S. (1991) · Nature · doi:10.1038/354056a0 · Cited by 43,098
Ordered mesoporous molecular sieves synthesized by a liquid-crystal template mechanism
Kresge, C. T., Leonowicz, M. E., Roth, W. J., Vartuli, J. C., & Beck, J. S. (1992) · Nature · doi:10.1038/359710a0 · Cited by 16,275
A new family of mesoporous molecular sieves prepared with liquid crystal templates
Beck, J. S., Vartuli, J. C., Roth, W. J., Leonowicz, M. E., Kresge, C. T., Schmitt, K. D., Chu, C. T. W., Olson, D. H., Sheppard, E. W., McCullen, S. B., et al. (1992) · Journal of the American Chemical Society · doi:10.1021/ja00053a020 · Cited by 10,967
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
Rappe, A. K., Casewit, C. J., Colwell, K. S., Goddard, W. A., & Skiff, W. M. (1992) · Journal of the American Chemical Society · doi:10.1021/ja00051a040 · Cited by 10,557
Design and synthesis of an exceptionally stable and highly porous metal-organic framework
Li, H., Eddaoudi, M., O'Keeffe, M., & Yaghi, O. M. (1999) · Nature · doi:10.1038/46248 · Cited by 8,554
Self-citationEddaoudi, M., Kim, J., Rosi, N., Vodak, D., Wachter, J., O'Keeffe, M., & Yaghi, O. M. (2002) · Science · doi:10.1126/science.1067208 · Cited by 8,132
Self-citationDREIDING: a generic force field for molecular simulations
Mayo, S. L., Olafson, B. D., & Goddard, W. A. (1990) · The Journal of Physical Chemistry · doi:10.1021/j100389a010 · Cited by 6,585
Molecular theory of gases and liquids
Scott, R. L. (1955) · Journal of Chemical Education · doi:10.1021/ed032p232.2 · Cited by 3,934
Principles of adsorption and adsorption processes
Kast, W. (1985) · Chemical Engineering and Processing: Process Intensification · doi:10.1016/0255-2701(85)80013-1 · Cited by 2,430
Understanding Molecular Simulation
(2002) · doi:10.1016/b978-0-12-267351-1.x5000-7 · Cited by 2,042
The interaction of gases with solid surfaces
Steele, W. A. (1974) · CERN Document Server (European Organization for Nuclear Research) · Cited by 1,504
Interwoven Metal-Organic Framework on a Periodic Minimal Surface with Extra-Large Pores
Chen, B., Eddaoudi, M., Hyde, S. T., O'Keeffe, M., & Yaghi, O. M. (2001) · Science · doi:10.1126/science.1056598 · Cited by 1,265
Self-citationLi, H., Eddaoudi, M., Groy, T. L., & Yaghi, O. M. (1998) · Journal of the American Chemical Society · doi:10.1021/ja981669x · Cited by 1,220
Self-citationHighly Porous and Stable Metal−Organic Frameworks: Structure Design and Sorption Properties
Eddaoudi, M., Li, H., & Yaghi, O. M. (2000) · Journal of the American Chemical Society · doi:10.1021/ja9933386 · Cited by 1,091
Self-citationCarbon Nanotubes and Related Structures: New Materials for the Twenty-first Century
Harris, P. J. F. (1999) · Cambridge University Press eBooks · doi:10.1017/cbo9780511605819 · Cited by 973
Atlas of Zeolite Framework Types
(2001) · Elsevier eBooks · doi:10.1016/b978-0-444-50701-3.x5000-9 · Cited by 844
Pore Size Distributions in Porous Glasses: A Computer Simulation Study
Gelb, L. D., & Gubbins, K. E. (1999) · Langmuir · doi:10.1021/la9808418 · Cited by 516
Porous Adsorbents for Vehicular Natural Gas Storage: A Review
Menon, V. C., & Komarneni, S. (1998) · Journal of Porous Materials · doi:10.1023/a:1009673830619 · Cited by 419
Snurr, R. Q., Bell, A. T., & Theodorou, D. N. (1993) · The Journal of Physical Chemistry · doi:10.1021/j100153a051 · Cited by 391
Self-citationAdsorption in Porous Materials at High Pressure: Theory and Experiment
Myers, A. L., & Monson, P. A. (2002) · Langmuir · doi:10.1021/la026399h · Cited by 390
Object-oriented Programming Paradigms for Molecular Modeling
Gupta, A., Chempath, S., Sanborn, M. J., Clark, L. A., & Snurr, R. Q. (2003) · Molecular Simulation · doi:10.1080/0892702031000065719 · Cited by 378
Self-citationSupramolecular Coordination Chemistry and Functional Microporous Molecular Materials
Dinolfo, P. H., & Hupp, J. T. (2001) · Chemistry of Materials · doi:10.1021/cm010176f · Cited by 325
Molecular simulation of methane and butane in silicalite
Goodbody, S. J., Watanabe, K., MacGowan, D., Walton, J. P. R. B., & Quirke, N. (1991) · Journal of the Chemical Society, Faraday Transactions · doi:10.1039/ft9918701951 · Cited by 283
Influence of pore geometry on the design of microporous materials for methane storage
Cracknell, R. F., Gordon, P., & Gubbins, K. E. (1993) · The Journal of Physical Chemistry · doi:10.1021/j100104a036 · Cited by 203
Optimal design of an activated carbon for an adsorbed natural gas storage system
Biloé, S., Goetz, V., & Guillot, A. (2002) · Carbon · doi:10.1016/s0008-6223(01)00287-1 · Cited by 152
Where are the molecules adsorbed on single-walled nanotubes?
Muris, M., Dupont-Pavlovsky, N., Bienfait, M., et al. (2001) · Surface Science · doi:10.1016/s0039-6028(01)01362-0 · Cited by 109
Cited by
Millward, A. R., & Yaghi, O. M. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0570032 · Cited by 2,876
Self-citationGas Storage in Nanoporous Materials
Morris, R. E., & Wheatley, P. S. (2008) · Angewandte Chemie International Edition · doi:10.1002/anie.200703934 · Cited by 1,622
Large-scale screening of hypothetical metal–organic frameworks
Wilmer, C. E., Leaf, M., Lee, C. Y., Farha, O. K., Hauser, B. G., Hupp, J. T., & Snurr, R. Q. (2012) · Nature Chemistry · doi:10.1038/nchem.1192 · Cited by 1,439
Self-citationEvaluating metal–organic frameworks for natural gas storage
Mason, J. A., Veenstra, M., & Long, J. R. (2014) · Chem. Sci. · doi:10.1039/c3sc52633j · Cited by 1,239
Structural diversity and chemical trends in hybrid inorganic–organic framework materials
Cheetham, A. K., Rao, C. N. R., & Feller, R. K. (2006) · Chem. Commun. · doi:10.1039/b610264f · Cited by 1,082
Metadata
- Authors
- Düren, T., Sarkisov, L., Yaghi, O. M., & Snurr, R. Q.
- Venue
- Langmuir
- Publisher
- American Chemical Society (ACS)
- Published
- 2004-03-01
- Volume
- 20
- Issue
- 7
- Pages
- 2683-2689
- ISSN
- 0743-7463 (ISSN-L)
- 1520-5827
- OpenAlex
- W2094392172
- Cited by
- 731
- References
- 26
- FWCI
- 19.57
- Type
- journal article
- Language
- en
- Open access
- closed
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